1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea

C20H22N4O4 — CID 71411277

IUPAC1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea
SMILESCCOC1(OCC)NC(=O)N(c2ccccc2)C1=NC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c1-3-27-20(28-4-2)17(22-18(25)21-15-11-7-5-8-12-15)24(19(26)23-20)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyWHGMRDCVRRCXBF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.57
Rot. Bonds6

About 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea

1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea (PubChem CID 71411277) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea.

Molecular Properties

Compound Name1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea
PubChem CID71411277
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea
SMILESCCOC1(OCC)NC(=O)N(c2ccccc2)C1=NC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c1-3-27-20(28-4-2)17(22-18(25)21-15-11-7-5-8-12-15)24(19(26)23-20)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyWHGMRDCVRRCXBF-UHFFFAOYSA-N
XLogP3.57
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate
CID 11529043
(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
CID 15500443
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
CID 95169945
2-[4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 2925783
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
ethyl N-(phenylcarbamoyl)-2-(1,2,4-triazol-1-yl)ethanimidate
CID 1475746
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
(1Z)-1-[3-(3-ethoxypropyl)-2-oxo-4aH-quinazolin-4-ylidene]-3-phenylurea
CID 178187103
ethyl 4-[[2-[(2E)-4-oxo-2-[(E)-(2-oxo-3-phenyl-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 135711822
ethyl 3-anilino-3-oxopropanoate
CID 3016808

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea?
The IUPAC name of 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea (CID 71411277) is 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea.
What is the SMILES notation for 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea?
The canonical SMILES for 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea is CCOC1(OCC)NC(=O)N(c2ccccc2)C1=NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea?
The InChIKey is WHGMRDCVRRCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-27-20(28-4-2)17(22-18(25)21-15-11-7-5-8-12-15)24(19(26)23-20)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea?
1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea has a molecular weight of 382.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea is sourced from PubChem (CID 71411277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).